Detailed information for compound 586111

Basic information

Technical information
  • TDR Targets ID: 586111
  • Name: 3-methylthiophene
  • MW: 98.1661 | Formula: C5H6S
  • H donors: 0 H acceptors: 0 LogP: 1.97 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cscc1
  • InChi: 1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
  • InChiKey: QENGPZGAWFQWCZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • poly(3-methylthiophene)
  • 616-44-4
  • 84928-92-7
  • Thiophene, 3-methyl-, homopolymer
  • 5-17-01-00331 (Beilstein Handbook Reference)
  • NSC65439
  • Thiophene, 3-methyl-
  • WLN: T5SJ C1
  • NSC 65439
  • beta-Methylthiophene
  • CCRIS 2937
  • M84402_ALDRICH
  • EINECS 210-482-6
  • InChI=1/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H
  • BRN 0001300
  • ZINC01692445
  • 69370_FLUKA
  • P3MT
  • 3-Thiotolene

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus carbonic anhydrase II 0.0702 0.5607 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.2358 0.4146
Echinococcus multilocularis carbonic anhydrase 0.0314 0.2358 0.4082
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0314 0.2358 0.4146
Leishmania major carbonic anhydrase-like protein 0.0702 0.5607 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.2358 0.4146
Schistosoma mansoni carbonic anhydrase-related 0.0314 0.2358 0.4146
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0702 0.5607 1
Brugia malayi plexin A 0.0047 0.0117 0.0109
Echinococcus granulosus carbonic anhydrase 0.0314 0.2358 0.4082
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0702 0.5607 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0702 0.5607 1
Entamoeba histolytica carbonic anhydrase, putative 0.0508 0.3983 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0314 0.2358 0.4146
Onchocerca volvulus Putative sulfate transporter 0.0206 0.1447 1
Chlamydia trachomatis sulfate transporter 0.0033 0 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0702 0.5607 1
Schistosoma mansoni carbonic anhydrase-related 0.0314 0.2358 0.4146
Schistosoma mansoni carbonic anhydrase 0.0508 0.3983 0.7074
Echinococcus granulosus carbonic anhydrase 0.0314 0.2358 0.4082
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0314 0.2358 0.4146
Toxoplasma gondii hypothetical protein 0.0314 0.2358 1
Schistosoma mansoni carbonic anhydrase 0.0314 0.2358 0.4146
Trichomonas vaginalis conserved hypothetical protein 0.1227 1 0.5
Echinococcus multilocularis carbonic anhydrase 0.0314 0.2358 0.4082
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0508 0.3983 1
Echinococcus granulosus carbonic anhydrase 0.0314 0.2358 0.4082
Plasmodium falciparum carbonic anhydrase 0.0314 0.2358 1
Plasmodium vivax sulfate transporter, putative 0.0033 0 0.5
Loa Loa (eye worm) plexin A 0.0047 0.0117 0.0109
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0702 0.5607 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0485 0.379 0.3344
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0314 0.2358 0.4146
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0702 0.5607 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0979 0.7923 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0314 0.2358 0.4146
Onchocerca volvulus 0.0206 0.1447 1
Echinococcus multilocularis carbonic anhydrase II 0.0702 0.5607 1
Echinococcus multilocularis carbonic anhydrase 0.0314 0.2358 0.4082
Trypanosoma brucei carbonic anhydrase-like protein 0.0702 0.5607 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0314 0.2358 0.4146
Schistosoma mansoni hypothetical protein 0.0314 0.2358 0.4146
Loa Loa (eye worm) hypothetical protein 0.0314 0.2358 0.4146
Mycobacterium ulcerans carbonic anhydrase 0.0508 0.3983 0.3983
Trichomonas vaginalis conserved hypothetical protein 0.1227 1 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0702 0.5607 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0702 0.5607 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.026 0.1906 0.031
Schistosoma mansoni carbonic anhydrase-related 0.0314 0.2358 0.4146

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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